Progress in computational approach to drug development againt SARS

Current Medicinal Chemistry

Volumn 13, Issue 27, 2006, Pages 3263-3270

  Chou, Kuo Chen ^a,b   Wei, Dong Qing ^a,b   Du, Qi Shi ^a,c   Sirois, Suzanne ^a,d   Zhong, Wei Zhu ^a  

^a GORDON LIFE SCIENCE INSTITUTE   (United States)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

^c TIANJIN NORMAL UNIVERSITY   (China)

^d UNIVERSITÉ DU QUÉBEC À MONTRÉAL   (Canada)

Author keywords

"Distorted key" mechanism; AG7088; Binding pocket; Coronavirus proteinase; KZ7088; Octapeptide substrate; SARS

Indexed keywords

ALANYLTHREONYLLEUCYLGLUTAMINYLALANYLGLUTAMYLASPARAGINYLVALINE; ALANYLTHREONYLLEUCYLGLUTAMINYLALANYLISOLEUCYLALANYLSERINE; ALANYLVALYLLEUCYLGLUTAMINYLSERYLGLYCYLPHENYLALANYLARGININE; ANTIVIRUS AGENT; KZ 7088; OCTAPEPTIDE; PROTEIN INHIBITOR; PROTEINASE; PROTEINASE INHIBITOR; RUPINTRIVIR; UNCLASSIFIED DRUG; VIRUS ENZYME;

CHINA; CLINICAL TRIAL; COMMON COLD; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; DRUG EFFICACY; DRUG POTENCY; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME INHIBITION; HUMAN; MOLECULAR DYNAMICS; PHARMACOPHORE; PREDICTION; PROTEIN DEGRADATION; REVIEW; SARS CORONAVIRUS; SEVERE ACUTE RESPIRATORY SYNDROME; STRUCTURAL BIOINFORMATICS; STRUCTURE ACTIVITY RELATION;

DIAGNOSIS, COMPUTER-ASSISTED; DRUG DESIGN; HUMANS; MEDICAL INFORMATICS; MODELS, MOLECULAR; PEPTIDES; SEVERE ACUTE RESPIRATORY SYNDROME; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33750554701     PISSN: 09298673     EISSN: None     Source Type: Journal    
DOI: 10.2174/092986706778773077     Document Type: Review

References (50)

1. Kesel, A. J. Curr. Med. Chem., 2005, 12, 2095-2162.
2. Wu, Y. S.; Lin, W. H.; Hsu, J. T.; Hsieh, H. P. Curr. Med. Chem., 2006, 13, 2003-2020.
3. Anand, K.; Ziebuhr, J.; Wadhwani, P.; Mesters, J. R.; Hilgenfeld, R. Science, 2003, 300, 1763-1767.
4. Chou, K. C.; Wei, D. Q.; Zhong, W. Z. Biochem. Biophys. Res. Commun., 2003, 308, 148-151. (Erratum: IBID, 2003, 310, 675).
5. Chou, K. C.; Watenpaugh, K. D.; Heinrikson, R. L. Biochem. Biophys. Res. Commun., 1999, 259, 420-428.
6. Zhang, J.; Luan, C. H.; Chou, K. C.; Johnson, G. V. W. PROTEINS: Struct. Funct. Genet., 2002, 48, 447-453.
7. Zhou, G. P.; Troy, F. A., 2nd. Glycobiology, 2003, 13, 51-71.
8. Chou, K. C. Biochem. Biophys. Res. Commun., 2004, 319, 433-438.
9. Zhou, G. P.; Troy, F. A., 2nd Glycobiology, 2005, 15, 347-359.
10. Zhou, G. P.; Troy, F. A. Curr. Prot. Pept. Sci., 2005, 6, 399-411.
11. Zhang, X. W.; Yap, Y. L. Bioorg. Med. Chem., 2004, 12, 2219-2223.
12. Samee, W. J. Club of Pharm. Chem. Pharmacognosy, 2005, Jan, 1-12.
13. Clercq, E. D. Expert Rev. Anti-Infect. Ther., 2006, 4, 291-302.
14. Schechter, I.; Berger, A. Biochem. Biophys. Res. Commun., 1967, 27, 157-162.
15. Miller, M.; Schneider, J.; Sathyanarayana, B. K.; Toth, M. V.; Marshall, G. R.; Clawson, L.; Selk, L.; Kent, S. B.; Wlodawer, A. Science., 1989, 246, 1149-1152.
16. Chou, K. C. J. Biol. Chem., 1993, 268, 16938-16948.
17. Anand, K.; Ziebuhr, J.; Wadhwani, P.; Mesters, J. R.; Hilgenfeld, R. Science, 2003, 300, 1763-1767.
18. Chou, K. C. Anal. Biochem., 1996, 233, 1-14.
19. Sirois, S.; Wei, D. Q.; Du, Q. S.; Chou, K. C. J. Chem. Inf. Comput. Sci., 2004, 44, 1111-1122.
20. Lipinski, C. A. J. Pharmacol. Toxicol. Methods, 2000, 44, 235-249.
21. Xu, J.; Stevenson, J. J. Chem. Inf. Comput. Sci., 2000, 40, 1177-1187.
22. Oprea, T.I. J. Comput. Aided Mol. Des., 2000, 14, 251-264.
23. Rishton, G. M. Drug Discov. Today, 1997, 2, 382-384.
24. Baurin, N. Criblage virtuel et Analyse de chmiothèque, Université d'Orléans., 2002.
25. Wei, D. Q.; Zhang, R.; Du, Q. S.; Gao, W. N.; Li, Y.; Gao, H.; Wang, S. Q.; Zhang, X.; Li, A. X.; Sirois, S.; Chou, K. C. Amino Acids, 2006, 31, 73-80.
26. Chou, K. C. Curr. Med. Chem., 2004, 11, 2105-2134.
27. Connolly, M. L. J. Mol. Graph., 1993, 11, 139-141.
28. Adessi, C.; Soto, C. Curr. Med. Chem., 2002, 9, 963-978.
29. Du, Q. S.; Wang, S. Q.; Wei, D. Q.; Zhu, Y.; Guo, H.; Sirois, S.; Chou, K. C. Peptides, 2004, 25, 1857-1864.
30. Du, Q. S.; Wang, S.; Wei, D. Q.; Sirois, S.; Chou, K. C. Anal. Biochem., 2005, 337, 262-270.
31. Du, Q. S.; Wang, S. Q.; Jiang, Z. Q.; Gao, W. N.; Li, Y. D.; Wei, D. Q.; Chou, K. C. Med. Chem., 2005, 1, 209-213.
32. Zhang, R.; Wei, D. Q.; Du, Q. S.; Chou, K. C. Med. Chem., 2006, 2, 309-314.
33. Wei, D. Q.; Chou, K. C.; Gan, Y. R.; Du, Q. S. In Patent Application No: CN 1560074A, January 2005 China, 2005.
34. Poorman, R. A.; Tomasselli, A. G.; Heinrikson, R. L.; Kezdy, F. J. J. Biol. Chem., 1991, 266, 14554-14561.
35. Chou, K. C.; Zhang, C. T.; Kezdy, F. J. Proteins: Struct., Funct., Genet., 1993, 16, 195-204.
36. Zhang, C. T.; Chou, K. C. Prot. Eng., 1993, 7, 65-73.
37. Chou, K. C.; Tomasselli, A. L.; Reardon, I. M.; Heinrikson, R. L. Proteins: Struct, Funct., Genet., 1996, 24, 51-72.
38. Thompson, T. B.; Chou, K. C.; Zheng, C. J. Theor. Biol., 177, 1995, 369-379.
39. Cai, Y. D.; Chou, K. C. Adv. Eng. Soft, 1998, 29, 119-128.
40. Chou, J. J. J. Prot. Chem., 1993, 12, 291-302.
41. Gao, F.; Ou, H. Y.; Chen, L. L.; Zheng, W. X.; Zhang, C. T. FEBS Lett., 2003, 553, 451-456.
42. Chen, L. L.; Ou, H. Y.; Zhang, R.; Zhang, C. T. Biochem. Biophys. Res. Commun., 2003, 307, 382-388.
43. Szelke, M.; Leckie, B. J.; Tree, M.; Brown, A.; Grant, J.; Hallett, A.; Hughes, M.; Jones, D. M.; Lever, A. F. Hypertension, 1982, 4, 59.
44. Venkatesan, N.; Kim, B. H. Curr. Med. Chem., 2002, 9, 2243-2270.
45. Gan, Y. R.; Huang, H.; Huang, Y. D.; Rao, C. M.; Zhao, Y.; Liu, J. S.; Wu, L.; Wei, D. Q. Peptides, 2006, 27, 622-625.
46. Yang, H.; Yang, M.; Ding, Y.; Liu, Y.; Lou, Z.; Zhou, Z.; Sun, L.; Mo, L.; Ye, S.; Pang, H.; Gao, G. F.; Anand, K.; Bartlam, M.; Hilgenfeld, R.; Rao, Z. Proc. Natl. Acad Sci. USA, 2003, 100, 13190-13195.
47. Wang, M.; Yao, J. S.; Huang, Z. D.; Xu, Z. J.; Liu, G. P.; Zhao, H. Y.; Wang, X. Y.; Yang, J.; Zhu, Y. S.; Chou, K. C. Med. Chem., 2005, 1, 39-47.
48. Wolfram, S. A New Kind of Science; Wolfram Media Inc.: Champaign, IL, 2002.
49. Wolfram, S. Nature, 1984, 311, 419-424.
50. Gao, L.; Ding, Y. S.; Dai, H.; Shao, S. H.; Huang, Z. D.; Chou, K. C. J. Pharm. Biomed. Anal., 2006, 41, 246-250.